(2-propoxyphenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (2-propoxyphenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (2-propoxyphenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid (2-propoxyphenyl) ester IUPAC Name: (2-propoxyphenyl) (3R)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxylic acid (2-propoxyphenyl) ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1OC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)SC

Isomeric SMILES

CCCOC1=CC=CC=C1OC(=O)[C@@H]2CC(=O)N(C2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H23NO4S/c1-3-12-25-18-6-4-5-7-19(18)26-21(24)15-13-20(23)22(14-15)16-8-10-17(27-2)11-9-16/h4-11,15H,3,12-14H2,1-2H3/t15-/m1/s1